4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine

C12H22F3N — CID 58394621

IUPAC4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine
SMILESCC(C)(C)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N/c1-11(2,3)10-4-7-16(8-5-10)9-6-12(13,14)15/h10H,4-9H2,1-3H3
InChIKeyTXLFMOREXUZWLJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.70
Rot. Bonds2

About 4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine

4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine (PubChem CID 58394621) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine
PubChem CID58394621
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine
SMILESCC(C)(C)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N/c1-11(2,3)10-4-7-16(8-5-10)9-6-12(13,14)15/h10H,4-9H2,1-3H3
InChIKeyTXLFMOREXUZWLJ-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine (CID 58394621) is 4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine is CC(C)(C)C1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is TXLFMOREXUZWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-11(2,3)10-4-7-16(8-5-10)9-6-12(13,14)15/h10H,4-9H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine?
4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 237.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 58394621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).